SCHEMBL5577792

SCHEMBL5577792

COc1ccc(CN2CC=C(c3cccc(CNC(=O)c4cccc(C)c4)c3)CC2)c(OC)c1

nearest known ligand 0.51

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CHRM3 P20309 5/20 0.51
WDR5 P61964 3/20 0.46
MMP13 P45452 1/20 0.46
KDM4E B2RXH2 3/20 0.46
MAPT P10636 1/20 0.46
THRB P10828 1/20 0.46
DRD2 P14416 1/20 0.46
DRD4 P21917 1/20 0.46
DRD3 P35462 1/20 0.46
TMEM97 Q5BJF2 1/20 0.46
ALDH1A1 P00352 2/20 0.46
POLB P06746 1/20 0.46
MEN1 O00255 2/20 0.44
KMT2A Q03164 2/20 0.44
MAPK1 P28482 1/20 0.44

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL5577756 0.94 CHRM3 (0.51) CHRM3WDR5MMP13KDM4EMAPT
SCHEMBL5577262 0.93 MMP13 (0.53) CHRM3WDR5MMP13KDM4EMAPT
SCHEMBL5577805 0.93 CHRM3 (0.56) CHRM3WDR5MMP13KDM4EMAPT
SCHEMBL5577743 0.90 MEN1 (0.54) CHRM3WDR5MMP13KDM4EDRD2
SCHEMBL5577371 0.89 CHRM3 (0.58) CHRM3WDR5MMP13THRBMEN1
SCHEMBL5577781 0.89 CHRM3 (0.46) CHRM3WDR5MMP13KDM4EMAPT
SCHEMBL5577509 0.88 CHRM3 (0.50) CHRM3WDR5MMP13KDM4EMAPT
SCHEMBL5577539 0.88 TAS1R3 (0.50) CHRM3KDM4EMAPTDRD3ALDH1A1
SCHEMBL5577442 0.86 CHRM3 (0.58) CHRM3WDR5THRB
SCHEMBL5577729 0.82 CHRM3 (0.60) CHRM3WDR5MMP13KDM4EMAPT

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070043079-A1 Heterocyclic compound containing nitrogen atom and use thereof ONO PHARMACEUTICAL CO., LTD. (JP) 2007-02-22 US disclosed
EP-1616862-A1 NITROGENOUS HETEROCYCLIC COMPOUND AND USE THEREOF ONO PHARMACEUTICAL CO., LTD. (JP) 2006-01-18 EP disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20070043079-A1 Heterocyclic compound containing nitrogen atom and use thereof HLA-DRB1, MIF, HLA-C CHRM3 2099/4885WDR5 3319/4885MMP13 1037/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.